CID 5196

Semicarbazide

Structural Information

Molecular Formula

SMILES

C(=O)(N)NN

InChI

InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)

InChIKey

DUIOPKIIICUYRZ-UHFFFAOYSA-N

Compound name

aminourea

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 7835
References: 85713
Patents: 75.04326 Da
Monoisotopic Mass: -1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	76.050536	110.4
[M+Na]+	98.032478	117.2
[M-H]-	74.035984	110.3
[M+NH4]+	93.077083	133.0
[M+K]+	114.00642	117.7
[M+H-H2O]+	58.040520	105.3
[M+HCOO]-	120.04146	136.9
[M+CH3COO]-	134.05711	166.6
[M+Na-2H]-	96.017926	117.1
[M]+	75.042711	105.2
[M]-	75.043809	105.2

Literature stripe

literature stripe

Patent stripe

patents stripe